8283
  DSViewer          3D                             0

 40 42  0  0  0  0  0  0  0  0999 V2000
    6.5164   -4.5350    0.0916 O   0  0  0  0  0  0  0  0  0  1
    1.8276    2.8206   -0.2963 C   0  0  0  0  0  0  0  0  0  2
    1.0783    3.0690    0.7231 C   0  0  3  0  0  0  0  0  0  3
    1.0057    1.8481   -0.4203 C   0  0  3  0  0  0  0  0  0  4
    3.2983    2.1009    0.4739 C   0  0  3  0  0  0  0  0  0  5
    3.2900    2.8674   -0.4082 C   0  0  0  0  0  0  0  0  0  6
    2.3080    4.0754    0.4758 C   0  0  0  0  0  0  0  0  0  7
    2.2533    1.8401   -1.4341 C   0  0  0  0  0  0  0  0  0  8
    1.5573    4.0386   -1.6997 C   0  0  0  0  0  0  0  0  0  9
    4.1792    0.9750   -0.2112 C   0  0  0  0  0  0  0  0  0 10
    4.1903    2.8820    1.5224 C   0  0  0  0  0  0  0  0  0 11
    4.6531   -0.0799    0.8103 C   0  0  0  0  0  0  0  0  0 12
    5.6000   -1.0113    0.1031 C   0  0  0  0  0  0  0  0  0 13
    5.6503   -2.3148    0.3829 C   0  0  0  0  0  0  0  0  0 14
    6.6353   -3.1818   -0.3491 C   0  0  0  0  0  0  0  0  0 15
    4.7244   -2.9208    1.4025 C   0  0  0  0  0  0  0  0  0 16
    1.3544    2.5025    1.6204 H   0  0  0  0  0  0  0  0  0 17
    0.1208    2.0475   -1.0368 H   0  0  0  0  0  0  0  0  0 18
    4.2842    3.1638   -0.7843 H   0  0  0  0  0  0  0  0  0 19
    2.0395    4.9380   -0.1340 H   0  0  0  0  0  0  0  0  0 20
    2.7763    4.4146    1.3998 H   0  0  0  0  0  0  0  0  0 21
    2.6658    0.8438   -1.5931 H   0  0  0  0  0  0  0  0  0 22
    2.0220    2.2960   -2.3967 H   0  0  0  0  0  0  0  0  0 23
    2.2124    3.7847   -2.5330 H   0  0  0  0  0  0  0  0  0 24
    1.7838    5.0474   -1.3546 H   0  0  0  0  0  0  0  0  0 25
    0.5187    3.9916   -2.0272 H   0  0  0  0  0  0  0  0  0 26
    3.5849    0.4804   -0.9795 H   0  0  0  0  0  0  0  0  0 27
    5.0522    1.4398   -0.6695 H   0  0  0  0  0  0  0  0  0 28
    5.0152    2.2461    1.8435 H   0  0  0  0  0  0  0  0  0 29
    3.5833    3.1527    2.3863 H   0  0  0  0  0  0  0  0  0 30
    4.5875    3.7859    1.0604 H   0  0  0  0  0  0  0  0  0 31
    5.1646    0.4099    1.6389 H   0  0  0  0  0  0  0  0  0 32
    3.7977   -0.6387    1.1900 H   0  0  0  0  0  0  0  0  0 33
    6.2650   -0.6089   -0.6610 H   0  0  0  0  0  0  0  0  0 34
    7.6463   -2.8255   -0.1515 H   0  0  0  0  0  0  0  0  0 35
    6.4345   -3.1318   -1.4192 H   0  0  0  0  0  0  0  0  0 36
    4.9229   -3.9894    1.4846 H   0  0  0  0  0  0  0  0  0 37
    3.6908   -2.7666    1.0925 H   0  0  0  0  0  0  0  0  0 38
    4.8877   -2.4461    2.3700 H   0  0  0  0  0  0  0  0  0 39
    7.1781   -5.0951   -0.3878 H   0  0  0  0  0  0  0  0  0 40
  1 15  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  3 17  1  0  0  0
  4  8  1  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 19  1  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 12  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8283

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
331

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAGAAAAYMGAAAAAAAAAAAAAAAAAAAAGgAACAAADwCggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAUAAAgAAIEAMAgMAPgAAAAAAAAACAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl)-2-methyl-pent-2-en-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
5-(2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl)-2-methyl-2-penten-1-ol

> <PUBCHEM_IUPAC_NAME>
5-(2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl)-2-methylpent-2-en-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl)-2-methyl-pent-2-en-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptan-3-yl)-2-methyl-pent-2-en-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
PDEQKAVEYSOLJX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
220.183

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC1(C2CC3C1(C3C2)C)C)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCCC1(C2CC3C1(C3C2)C)C)CO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.183

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  1
3  17  3
4  18  3
5  10  3

$$$$
